5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

C15H14N2O3S — CID 66200393

IUPAC5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCOc1cc(OC)cc(-c2onc(N)c2-c2cccs2)c1
InChIInChI=1S/C15H14N2O3S/c1-18-10-6-9(7-11(8-10)19-2)14-13(15(16)17-20-14)12-4-3-5-21-12/h3-8H,1-2H3,(H2,16,17)
InChIKeyUVMUOENJAXLGNY-UHFFFAOYSA-N
MW302.36 g/mol
LogP3.67
Rot. Bonds4

About 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine

5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66200393) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66200393
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCOc1cc(OC)cc(-c2onc(N)c2-c2cccs2)c1
InChIInChI=1S/C15H14N2O3S/c1-18-10-6-9(7-11(8-10)19-2)14-13(15(16)17-20-14)12-4-3-5-21-12/h3-8H,1-2H3,(H2,16,17)
InChIKeyUVMUOENJAXLGNY-UHFFFAOYSA-N
XLogP3.67
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66200393) is 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is COc1cc(OC)cc(-c2onc(N)c2-c2cccs2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is UVMUOENJAXLGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-18-10-6-9(7-11(8-10)19-2)14-13(15(16)17-20-14)12-4-3-5-21-12/h3-8H,1-2H3,(H2,16,17).
What are the key properties of 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine has a molecular weight of 302.36 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).